[dimethyl(3,3,3-trifluoropropyl)silyl] 4-methylpentanoate

C11H21F3O2Si — CID 91694224

IUPAC[dimethyl(3,3,3-trifluoropropyl)silyl] 4-methylpentanoate
SMILESCC(C)CCC(=O)O[Si](C)(C)CCC(F)(F)F
InChIInChI=1S/C11H21F3O2Si/c1-9(2)5-6-10(15)16-17(3,4)8-7-11(12,13)14/h9H,5-8H2,1-4H3
InChIKeyRBFURHYLXWARKM-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.12
Rot. Bonds6

About [dimethyl(3,3,3-trifluoropropyl)silyl] 4-methylpentanoate

[dimethyl(3,3,3-trifluoropropyl)silyl] 4-methylpentanoate (PubChem CID 91694224) has the molecular formula C11H21F3O2Si and a molecular weight of 270.37 g/mol. Its IUPAC name is [dimethyl(3,3,3-trifluoropropyl)silyl] 4-methylpentanoate.

Molecular Properties

Compound Name[dimethyl(3,3,3-trifluoropropyl)silyl] 4-methylpentanoate
PubChem CID91694224
Molecular FormulaC11H21F3O2Si
Molecular Weight270.37 g/mol
Exact Mass270.13
IUPAC Name[dimethyl(3,3,3-trifluoropropyl)silyl] 4-methylpentanoate
SMILESCC(C)CCC(=O)O[Si](C)(C)CCC(F)(F)F
InChIInChI=1S/C11H21F3O2Si/c1-9(2)5-6-10(15)16-17(3,4)8-7-11(12,13)14/h9H,5-8H2,1-4H3
InChIKeyRBFURHYLXWARKM-UHFFFAOYSA-N
XLogP4.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-Methylpentanoic acid trimethylsilyl ester
CID 13862003
4-Methylvaleric acid, trimethylsilyl ester
CID 554430
Trimethylsilyl 3,3,4,4,5,5,5-heptafluoro-2-(trifluoromethyl)pentanoate
CID 91697410
[Tert-butyl(dimethyl)silyl] 5-fluoropentanoate
CID 87739176
Trimethylsilyl 4,4,4-trifluoro-3-methylbutanoate
CID 173561941
4-Methylvaleric acid, tert-butyldimethylsilyl ester
CID 554785
methyl (2S,3S)-3-[fluoro(dimethyl)silyl]-2,4-dimethylpentanoate
CID 10353428
methyl (2S,3R)-3-[fluoro(dimethyl)silyl]-2,4-dimethylpentanoate
CID 122405712
[Diethyl(methyl)silyl] 4-methylpentanoate
CID 170849347
Pentanoic acid, 3-methyl-, tert-butyldimethylsilyl ester
CID 554786
[Dimethyl(2-methylpropyl)silyl] pentanoate
CID 57143597
Dimethylsilyl 4-methylpentanoate
CID 123289315

Frequently Asked Questions

What is the IUPAC name of [dimethyl(3,3,3-trifluoropropyl)silyl] 4-methylpentanoate?
The IUPAC name of [dimethyl(3,3,3-trifluoropropyl)silyl] 4-methylpentanoate (CID 91694224) is [dimethyl(3,3,3-trifluoropropyl)silyl] 4-methylpentanoate.
What is the SMILES notation for [dimethyl(3,3,3-trifluoropropyl)silyl] 4-methylpentanoate?
The canonical SMILES for [dimethyl(3,3,3-trifluoropropyl)silyl] 4-methylpentanoate is CC(C)CCC(=O)O[Si](C)(C)CCC(F)(F)F.
What is the InChIKey of [dimethyl(3,3,3-trifluoropropyl)silyl] 4-methylpentanoate?
The InChIKey is RBFURHYLXWARKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3O2Si/c1-9(2)5-6-10(15)16-17(3,4)8-7-11(12,13)14/h9H,5-8H2,1-4H3.
What are the key properties of [dimethyl(3,3,3-trifluoropropyl)silyl] 4-methylpentanoate?
[dimethyl(3,3,3-trifluoropropyl)silyl] 4-methylpentanoate has a molecular weight of 270.37 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(3,3,3-trifluoropropyl)silyl] 4-methylpentanoate is sourced from PubChem (CID 91694224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).